UCSF

ZINC02898452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 24 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.72 4.74 -9.64 3 6 0 91 390.237 4
Hi High (pH 8-9.5) 3.72 5.52 -46.97 2 6 -1 94 389.229 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )